allyl propionate
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IUPAC name :prop-2-enyl propanoate
InChI :InChI=1/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
InChIKey :XRFWKHVQMACVTA-UHFFFAOYAU
SMILES :CCC(=O)OCC=C
cas number :2408-20-0
(EINECS) number :219-307-8
fema number :2040
coe number :2094
jecfa number :1
fl. number :09.233
molar refractivity :31.34 ± 0.3 cm3
parachor :284.5 ± 4.0 cm3
index of refraction :1.411 ± 0.02
surface tension :25.9 ± 3.0 dyne/cm
density :0.904 ± 0.06 g/cm3
polarizability :12.42 ± 0.5 10-24cm3
XlogP : 1.10
XlogP3-AA : 1.20
molecular weight : 114.1424000 (IUPAC)
formula :C6 H10 O2
BioActivity Analysis :73454
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515

Suppliers :
Frutarom :ALLYL PROPIONATE
≥99.00%, Kosher
Odor:  Apple, Apricot, Fruity, Ripe, Tropical
Suggested Uses: Apple, Apricot, Pineapple, Tropical Fruits
Inoue :ALLYL PROPIONATE
Penta :allyl propionate
SAFC Global® :Allyl propionate
≥99%, Kosher
Odor:  apple; apricot; ethereal

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
apricot apple fruity ripe tropical
odor description:
Etherial, sharp, acrylate-like with an alliaceous nuance, overripe and tropical
Mosciano, Gerard P&F 20, No. 3, 63, (1995)
taste description:
at 10.00 ppm.  
Pungent, sharp, alliaceous, acrylate-like with a tropical depth
Mosciano, Gerard P&F 20, No. 3, 63, (1995)

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91200 to 0.91800 @ 20.00 °C.
pounds per gallon - calc. : 7.598 to 7.648
refractive index :1.40700 to 1.41300 @ 20.00 °C.
boiling point : 121.00 to 122.00 °C. @ 760.00 mm Hg
flash point : 103.00  °F.  TCC  ( 39.44 °C. )
logP (o/w) : 1.71

safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl propionate fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for allyl propionate flavor usage levels up to :
  15.0000 ppm in the flavor.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 3272
 
WGK Germany :3
 
 
 
 
prop-2-enyl propanoate
(EINECS) number :219-307-8
chemidplus :002408200
EPA Substance Registry Services :2408-20-0
dtp/nci :7620

references :
 
prop-2-enyl propanoate
fl. number :09.233
jecfa number :1
NIST Chemistry WebBook :2112970810
pubchem :197588

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 allyl propanoate
 prop-2-enyl propanoate
 propanoic acid 2-propenyl ester
2-propenyl propanoate
 propionic acid allyl ester

Similar Products:    note
 allyl thiopropionate
 amyl propionate
isoamyl propionate
para-anisyl propionate
 benzyl propionate
 bornyl propionate
isobornyl propionate
 butyl propionate
isobutyl propionate
tert-butyl propionate
 carvyl propionate
 cinnamyl propionate
 citronellyl propionate
para-cresyl propionate
 cyclohexyl propionate
 cyclotene propionate
 decyl propionate
 dewy propionate
 dicyclopentadiene propionate
 dimethyl benzyl carbinyl propionate
 dodecyl propionate
 ethyl propionate
 eugenyl propionate
 furfuryl propionate
 furfuryl thiopropionate
 geranyl propionate
 guaiacyl propionate
 heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
 hexyl propionate
 linalyl propionate
 maltyl propionate
 menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
 methyl propionate
 nerolidyl propionate
 neryl propionate
 nonisyl propionate
 nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
 octyl propionate
 phenethyl propionate
 phenoxyethyl propionate
3-phenyl propyl propionate
 propyl propionate
isopropyl propionate
 rhodinyl propionate
 sorbyl propionate
 styralyl propionate
 sulfuryl propionate
 terpinyl propionate
 tetrahydrofurfuryl propionate
 tricyclodecenyl propionate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl cyclohexyl valerateFL
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
 allyl phenoxyacetateFL/FR
 allyl salicylateFR
 allyl sorbateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl isovalerateFL/FR
isoamyl nonanoateFL/FR
isoamyl octanoateFL/FR
 amyl propionateFL/FR
isoamyl propionateFL/FR
 amyl valerateFL/FR
isoamyl valerateFL/FR
 apple crotonateFR
 apple ketalFL/FR
 apricot isobutyrateFR
 benzyl butyrateFL/FR
 benzyl ethyl etherFL/FR
 benzyl heptanoateFR
 benzyl hexanoateFL/FR
 benzyl isovalerateFL/FR
 benzyl octanoateFL/FR
 benzyl propionateFL/FR
 bois de rose oilFL/FR
isobornyl isovalerateFL/FR
 buchu mercaptanFL/FR
2-butanolCS
isobutyl 2-butenoateFL/FR
isobutyl acetateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl decanoateFL/FR
 butyl decylenateFL/FR
isobutyl furyl propionateFL/FR
 butyl heptanoateFL/FR
 butyl hexanoateFL/FR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 butyl nonanoateFL/FR
 butyl valerateFL/FR
 cassis pentanoneFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 citronellyl formateFL/FR
 citronellyl isovalerateFL/FR
 cognac heptanoneFL/FR
 coranolFR
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
 decen-1-yl cyclopentanoneFL/FR
3-decen-2-oneFL/FR
 diethyl 1-malateFL
 diethyl malonateFL/FR
 dihydroactinidolideFL
 dihydrolinaloolFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-(2-furyl) propanoateFL
 ethyl 3-hexenoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl decanoateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl octanoateFL/FR
 ethyl propionateFL/FR
 ethyl safranateFR
 ethyl valerateFL/FR
 fruity cyclopentanoneFR
 fruity ketalFL/FR
 furfuryl isovalerateFL
 furfuryl valerateFL
2-furyl pentyl ketoneFL
 galbanum ketoneFR
 galbanum oxathianeFL/FR
 galbanum oxyacetateFR
 geranyl acetoacetateFL/FR
 geranyl isobutyrateFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl ethyl acetateFL/FR
 geranyl methyl tiglate 
 grape butyrateFL/FR
 green acetateFR
 heptanal dimethyl acetalFL/FR
4-heptanoneFL/FR
 heptyl 2-methyl butyrateFL
 heptyl acetateFL/FR
 heptyl formateFL/FR
 heptyl isobutyrateFL/FR
 heptyl propionateFR
 herbal ethanoneFR
 hexanal diethyl acetalFL/FR
(Z)-3-hexen-1-alFL/FR
2-hexen-1-alFL
3-hexen-1-alFL/FR
(E)-2-hexen-1-al diethyl acetalFL
(Z)-3-hexen-1-al diethyl acetalFL/FR
2-hexen-1-al diethyl acetalFL
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-butenoateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 jasmin lactoneFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl hexanoateFL/FR
 linalyl isovalerateFL/FR
 linalyl valerateFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 marine formateFR
 melon valerateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl 2-hexenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 4-(methyl thio) butyrateFL
 methyl 4-methyl valerateFL
2-methyl butyl isovalerateFL/FR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl heptenoneFL/FR
 methyl hexanoateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl octenoateFL/FR
 methyl propionateFL/FR
 methyl thiomethyl butyrateFL
 methyl valerateFL/FR
4-methyl-2-penten-1-alFL
2-methyl-3,(5 or 6)-ethoxypyrazineFL
 nonyl isovalerateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
3-octyl acetateFL/FR
 octyl phenyl acetateFL/FR
 passiflora acetateFL/FR
 peach cyclopentanoneFR
(E)-2-penten-1-alFL/FR
 phenethyl acetateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isovalerateFL/FR
 phenoxyethyl isobutyrateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl butyrateFL/FR
3-phenyl propyl cinnamateFL/FR
2-phenyl propyl isobutyrateFL/FR
 pineapple heptadienone 10%FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
isopropyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl phenyl acetateFL/FR
 propyl propionateFL/FR
isopropyl propionateFL/FR
 propyl tiglateFL/FR
 sorbyl isobutyrateFL/FR
 sorbyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydrolinaloolFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
 tropical 3-thiobutyrateFL/FR
 tropical iononeFL/FR
 tropical oxathianeFL/FR
gamma-undecalactoneFL/FR
2-undecanoneFL/FR
 vanilla carboxylateFL/FR
 viridiflorolFL/FR

potential uses :
 apple
 apricot
 fruit tropical fruit
 ginger
 mustard
 pineapple
 spice
 tropical

natural occurrence in :    note
 not found in nature  

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